caa a22 4500 445365889 CHVBK 20180317142930.0 cr unu---uuuuu 170323e20110301xx s 000 0 eng 10.1007/s10909-010-0239-7 doi (NATIONALLICENCE)springer-10.1007/s10909-010-0239-7 Eloranta Jussi Department of Chemistry and Biochemistry, California State University, Northridge, 18111 Nordhoff St., 91330, Northridge, CA, USA aut Theoretical Study of Quantum Gel Formation inSuperfluid 4He [Elektronische Daten] [Jussi Eloranta] Bosonic density functional theory calculations were carried out for neon, argon, and fluorine based systems in superfluid 4He with an emphasis on the formation of dimeric species in the liquid. These atomic species display relatively strong binding with helium and hence their solvation structures in the liquid exhibit highly localized liquid helium layers around them. These solvent layers modify the gas phase dimer potentials by inclusion of a recombination barrier, which provides stabilization for the solvated atoms. Of closed shell species neon is shown to exhibit a recombination barrier of 3K for the dimer and up to 5.8K for specific cluster geometries. For argon, the liquid induced potential barrier is only 0.7K and it has a rather large amount of excess energy available along the recombination coordinate indicating that it is not possible to stabilize argon atoms in superfluid helium. Atomic fluorine shows the most pronounced effect with the recombination barrier of 26.8K for producing ground state F2. It is concluded that neon and fluorine atoms are good candidates to form impurity based quantum gels in bulk superfluid helium. Springer Science+Business Media, LLC, 2010 Superfluid helium nationallicence Quantum gel nationallicence Impurity solvation nationallicence Journal of Low Temperature Physics Springer US; http://www.springer-ny.com 162/5-6(2011-03-01), 718-723 0022-2291 162:5-6<718 2011 162 10909 https://doi.org/10.1007/s10909-010-0239-7 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10909-010-0239-7 text/html Onlinezugriff via DOI NATIONALLICENCE 100 1- Eloranta Jussi Department of Chemistry and Biochemistry, California State University, Northridge, 18111 Nordhoff St., 91330, Northridge, CA, USA aut NATIONALLICENCE 773 0- Journal of Low Temperature Physics Springer US; http://www.springer-ny.com 162/5-6(2011-03-01), 718-723 0022-2291 162:5-6<718 2011 162 10909 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer